IHR 1 - ≥99%(HPLC) , CAS No.548779-60-8

CAS: 548779-60-8 Cat. No.: I286903 Molecular Weight: 454.13

GRADE & PURITY ≥99%(HPLC)

Synonyms

N,N'-1,4-Phenylenebis[2,5-dichlorobenzamide] | IHR-1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

N, N'-1, 4-Phenylenebis[2, 5-dichlorobenzamide] | IHR-1

Specifications & Purity

≥99%(HPLC)

Biochemical and Physiological Mechanisms

Potent Smo antagonist (IC50= 7.6 nM). Selectively inhibits Hedgehog signaling over Wnt and Notch signaling pathways. Blocks Smo accumulation in primary ciliumin vitro.Fluorescent Analogalso available.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Purity

≥99%(HPLC)

Names and Identifiers

• Pubchem Sid: 488192078
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192078
• Canonical Smiles: C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)Cl)Cl)NC(=O)C3=C(C=CC(=C3)Cl)Cl
• IUPAC Name: 2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]phenyl]benzamide
• InChIKey: VCLHHRGZKNUOAQ-UHFFFAOYSA-N
• INCHI: 1S/C20H12Cl4N2O2/c21-11-1-7-17(23)15(9-11)19(27)25-13-3-5-14(6-4-13)26-20(28)16-10-12(22)2-8-18(16)24/h1-10H,(H,25,27)(H,26,28)
• Isomeric SMILES: C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)Cl)Cl)NC(=O)C3=C(C=CC(=C3)Cl)Cl
• Molecular Weight: 454.13
• Reaxy-Rn: 28625532
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28625532&ln=

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 9.08, Max Conc. mM: 20 with gentle warming
• Molecular Weight: 454.100 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 453.962 Da
• Monoisotopic Mass: 451.965 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 508.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1